4-(oxolane-3-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one

C12H15N3O3S — CID 134160473

IUPAC4-(oxolane-3-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one
SMILESO=C(C1CCOC1)N1CCN(c2nccs2)C(=O)C1
InChIInChI=1S/C12H15N3O3S/c16-10-7-14(11(17)9-1-5-18-8-9)3-4-15(10)12-13-2-6-19-12/h2,6,9H,1,3-5,7-8H2
InChIKeyBMLZYHHFQLXKFZ-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.35
Rot. Bonds2

About 4-(oxolane-3-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one

4-(oxolane-3-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one (PubChem CID 134160473) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-(oxolane-3-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(oxolane-3-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one
PubChem CID134160473
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name4-(oxolane-3-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one
SMILESO=C(C1CCOC1)N1CCN(c2nccs2)C(=O)C1
InChIInChI=1S/C12H15N3O3S/c16-10-7-14(11(17)9-1-5-18-8-9)3-4-15(10)12-13-2-6-19-12/h2,6,9H,1,3-5,7-8H2
InChIKeyBMLZYHHFQLXKFZ-UHFFFAOYSA-N
XLogP0.35
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]-N-(1,3-thiazol-2-yl)oxolane-3-carboxamide
CID 75373719
1-[4-(1,3-Thiazol-2-yl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 134005272
N-(1,3-Thiazol-2-yl)oxolane-3-carboxamide
CID 91420847
N-(3-ethoxypropyl)-3-methyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]butanamide
CID 3571002
1-[2-Oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 45802538
1-(3-Methoxypropyl)-4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46957201
N-(oxolan-3-ylmethyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47253929
2-Amino-4-methoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 55080714
N-ethyl-N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 56786854
2-(2,6-dimethylmorpholin-4-yl)-N,3-dimethyl-N-(1,3-thiazol-2-yl)butanamide
CID 60586176
Ethyl 4-oxo-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butanoate
CID 60708238
3-[[4-(1,3-Thiazol-2-yl)piperazin-1-yl]methyl]oxolane-3-carbaldehyde
CID 62275794

Frequently Asked Questions

What is the IUPAC name of 4-(oxolane-3-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one?
The IUPAC name of 4-(oxolane-3-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one (CID 134160473) is 4-(oxolane-3-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one.
What is the SMILES notation for 4-(oxolane-3-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one?
The canonical SMILES for 4-(oxolane-3-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one is O=C(C1CCOC1)N1CCN(c2nccs2)C(=O)C1.
What is the InChIKey of 4-(oxolane-3-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one?
The InChIKey is BMLZYHHFQLXKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c16-10-7-14(11(17)9-1-5-18-8-9)3-4-15(10)12-13-2-6-19-12/h2,6,9H,1,3-5,7-8H2.
What are the key properties of 4-(oxolane-3-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one?
4-(oxolane-3-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one has a molecular weight of 281.34 g/mol, XLogP of 0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolane-3-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one is sourced from PubChem (CID 134160473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).